Structure Database (LMSD)

Common Name
3,9-Dimethyldodecan-6-ol
Systematic Name
3,9-Dimethyldodecan-6-ol
Synonyms
LM ID
LMFA05000517
Formula
C14H30O
Exact Mass
Calculate m/z
214.229665
Sum Composition
FOH 14:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
YUCABFMYNWXOSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H30O/c1-5-7-13(4)9-11-14(15)10-8-12(3)6-2/h12-15H,5-11H2,1-4H3
SMILES (Click to copy)
CCC(C)CCC(O)CCC(C)CCC

Other Databases

CHEBI ID
186943
PubChem CID
10512837

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 259.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.68
Molar Refractivity 68.51

Admin

Created at
-
Updated at
-